(3-chloro-4-ethylphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone

C21H19Cl2NO — CID 160679379

IUPAC(3-chloro-4-ethylphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CCC3=C(Cc4ccc(Cl)cc43)C2)cc1Cl
InChIInChI=1S/C21H19Cl2NO/c1-2-13-3-4-15(10-20(13)23)21(25)24-8-7-18-16(12-24)9-14-5-6-17(22)11-19(14)18/h3-6,10-11H,2,7-9,12H2,1H3
InChIKeyRNXZOVCVMXJGJB-UHFFFAOYSA-N
MW372.30 g/mol
LogP5.41
Rot. Bonds2

About (3-chloro-4-ethylphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone

(3-chloro-4-ethylphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone (PubChem CID 160679379) has the molecular formula C21H19Cl2NO and a molecular weight of 372.30 g/mol. Its IUPAC name is (3-chloro-4-ethylphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-ethylphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone
PubChem CID160679379
Molecular FormulaC21H19Cl2NO
Molecular Weight372.30 g/mol
Exact Mass371.08
IUPAC Name(3-chloro-4-ethylphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CCC3=C(Cc4ccc(Cl)cc43)C2)cc1Cl
InChIInChI=1S/C21H19Cl2NO/c1-2-13-3-4-15(10-20(13)23)21(25)24-8-7-18-16(12-24)9-14-5-6-17(22)11-19(14)18/h3-6,10-11H,2,7-9,12H2,1H3
InChIKeyRNXZOVCVMXJGJB-UHFFFAOYSA-N
XLogP5.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.30
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3-chloro-4-ethylphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone with MolForge

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Related Compounds

(4-chloro-2,3-dihydroxyphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone
CID 159995881
2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone
CID 161050132
6-chloro-N-[(3-chloro-4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carboxamide
CID 157136545
(3-chloro-4-ethylphenyl)-piperazin-1-ylmethanone
CID 82554254
1-(3-chlorophenyl)-3-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propan-2-one
CID 157115806
4-(3-chloro-4-ethylbenzoyl)-1-[(2,4-difluorophenyl)methyl]piperazin-2-one
CID 154848686
[6-chloro-1-(2-hydroxyethyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-(3-chlorophenyl)methanone
CID 160744599
(6-chloronaphthalen-2-yl)-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone
CID 167857550
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 84592390
(3,4-dichlorophenyl)-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone
CID 84580795
N-[4-[5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]pentanamide
CID 42785079

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-ethylphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone?
The IUPAC name of (3-chloro-4-ethylphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone (CID 160679379) is (3-chloro-4-ethylphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone.
What is the SMILES notation for (3-chloro-4-ethylphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone?
The canonical SMILES for (3-chloro-4-ethylphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone is CCc1ccc(C(=O)N2CCC3=C(Cc4ccc(Cl)cc43)C2)cc1Cl.
What is the InChIKey of (3-chloro-4-ethylphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone?
The InChIKey is RNXZOVCVMXJGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO/c1-2-13-3-4-15(10-20(13)23)21(25)24-8-7-18-16(12-24)9-14-5-6-17(22)11-19(14)18/h3-6,10-11H,2,7-9,12H2,1H3.
What are the key properties of (3-chloro-4-ethylphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone?
(3-chloro-4-ethylphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone has a molecular weight of 372.30 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-ethylphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone is sourced from PubChem (CID 160679379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).